Li2Cr2FeO6

Li2Cr2FeO6 is a metastable semiconducting oxide composed of lithium, chromium, iron, and oxygen.

CrFeLiO
Crystal structure of Li2Cr2FeO6
Ground-state structure · Materials Project
Overview

About Li2Cr2FeO6

Li2Cr2FeO6 is a complex oxide compound characterized by its semiconducting electronic nature. As a metastable material, it represents a specific configuration of lithium, chromium, iron, and oxygen that exists in a delicate energy landscape, making it a subject of interest for structural studies in materials science.

Its existence across multiple reported structures suggests a rich phase space that researchers are actively exploring. Understanding the stability and electronic behavior of this compound provides insights into how transition metal oxides can be tuned for specialized functional applications.

At a glance

Key Properties

Cross-validated computational properties for Li2Cr2FeO6, aggregated across 3 databases.

Band Gap

0.33 eV
Range across DFT structures

Energy Above Hull

0.096 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where Li2Cr2FeO6 is used.

Materials science researchSolid-state electronic device studiesTransition metal oxide research
Reference

Frequently Asked Questions

Common questions about Li2Cr2FeO6, answered from cross-validated data.

What is Li2Cr2FeO6?

Li2Cr2FeO6 is a metastable semiconducting oxide composed of lithium, chromium, iron, and oxygen.

More questions
What is Li2Cr2FeO6 used for?
Li2Cr2FeO6 is used in materials science research, solid-state electronic device studies, and transition metal oxide research.
What is the band gap of Li2Cr2FeO6?
Li2Cr2FeO6 has a DFT-computed band gap of 0.33 eV across 6 reported structures.
Is Li2Cr2FeO6 a metal, semiconductor, or insulator?
With a band gap up to 0.33 eV it is a semiconductor.
Is Li2Cr2FeO6 thermodynamically stable?
Li2Cr2FeO6 has a lowest energy above hull of 0.096 eV/atom (metastable).
How many polymorphs of Li2Cr2FeO6 are known?
6 structures of Li2Cr2FeO6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li2Cr2FeO6 contain?
Li2Cr2FeO6 contains Cr, Fe, Li, and O (4 elements).
Where does the data for Li2Cr2FeO6 come from?
Li2Cr2FeO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique transition metal oxide, Li2Cr2FeO6 occupies a distinct position within the broader landscape of lithium-based functional materials. Unlike more common, highly stable battery cathode materials, its metastable nature offers a different pathway for investigating ion mobility and electronic transport phenomena in complex oxide systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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